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88723-27-7 | Ethanone, 1-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-
CAS No: 88723-27-7 Catalog No: AG0045TB MDL No:
Product Description
Catalog Number:
AG0045TB
Chemical Name:
Ethanone, 1-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-
CAS Number:
88723-27-7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1-[2-(benzylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C12H13N3O/c1-9(16)11-8-14-12(15-11)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,13,14,15)
InChI Key:
DNRGYGLQDXDLMB-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(n1)NCc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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